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fix nox example excluding singlet O2
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  • examples/rmg/nox_transitory_edge

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examples/rmg/nox_transitory_edge/input.py

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@@ -12,10 +12,12 @@
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reactive=True,
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structure=SMILES("CC"),
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)
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species(
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label='O2',
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structure=SMILES("[O][O]"),
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)
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species(
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label='N2',
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reactive=False,
@@ -76,6 +78,7 @@
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generatedSpeciesConstraints(
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allowed=['input species','seed mechanisms','reaction libraries'],
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allowSingletO2=True,
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#maximumCarbonAtoms=5,
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#maximumOxygenAtoms=8,
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#maximumNitrogenAtoms=0,

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